1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-4-methoxy-proline Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-20-8-6-10(13(16)17)15(7-8)12-9-4-2-3-5-11(9)21(18,19)14-12/h2-5,8,10H,6-7H2,1H3,(H,16,17)